N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C22H23N3O5S — CID 10203685

IUPACN-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O5S/c1-15-12-17(19-4-2-3-5-20(19)23-15)14-30-18-8-6-16(7-9-18)13-25-21(22(26)24-27)10-11-31(25,28)29/h2-9,12,21,27H,10-11,13-14H2,1H3,(H,24,26)
InChIKeyJHHLVVDASBMHIL-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.53
Rot. Bonds6

About N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 10203685) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID10203685
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1cc(COc2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O5S/c1-15-12-17(19-4-2-3-5-20(19)23-15)14-30-18-8-6-16(7-9-18)13-25-21(22(26)24-27)10-11-31(25,28)29/h2-9,12,21,27H,10-11,13-14H2,1H3,(H,24,26)
InChIKeyJHHLVVDASBMHIL-UHFFFAOYSA-N
XLogP2.53
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 10203685) is N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is Cc1cc(COc2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is JHHLVVDASBMHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-12-17(19-4-2-3-5-20(19)23-15)14-30-18-8-6-16(7-9-18)13-25-21(22(26)24-27)10-11-31(25,28)29/h2-9,12,21,27H,10-11,13-14H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10203685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).